Information card for entry 8101507

Structure parameters

• Formula: C14 H12 Br N O
• Calculated formula: C14 H12 Br N O
• SMILES: Brc1ccc(O)c(c1)/C=N/c1ccccc1C
• Title of publication: Crystal structure of 3-bromo-1-[(2-methylphenylimino)methyl]phenol, C14H12BrNO
• Authors of publication: Yeap, Guan-Yeow; Sandro, Calogero; Teoh, Siang-Guan; Teo, Soon-Beng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 163 - 164
• a: 15.951 ± 0.002 Å
• b: 4.607 ± 0.001 Å
• c: 17.294 ± 0.002 Å
• α: 90°
• β: 103.7 ± 0.1°
• γ: 90°
• Cell volume: 1234.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1044
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No